CID 211842

Brn 4851382

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CC1=NC2=C(O1)CCC3=CC=CC=C3C2=C4CCN(CC4)CCOC(=O)C
InChI
InChI=1S/C22H26N2O3/c1-15-23-22-20(27-15)8-7-17-5-3-4-6-19(17)21(22)18-9-11-24(12-10-18)13-14-26-16(2)25/h3-6H,7-14H2,1-2H3
InChIKey
NGFQYLISIAHICE-UHFFFAOYSA-N
Compound name
2-[4-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 188.8
[M+Na]+ 389.18356 193.7
[M-H]- 365.18706 195.5
[M+NH4]+ 384.22816 200.2
[M+K]+ 405.15750 192.7
[M+H-H2O]+ 349.19160 180.2
[M+HCOO]- 411.19254 201.2
[M+CH3COO]- 425.20819 197.2
[M+Na-2H]- 387.16901 188.0
[M]+ 366.19379 185.4
[M]- 366.19489 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.